When I click 'export shifts' in the 'Follow Shift Changes' window after
grouping peaks, the output doesn't make any sense.
I think what happens is that it mixes up sidechain and backbone resonances.
For example, the shifts associated with a Trp residue alternate between ~
8ppm (obviously the HN) and ~ 10ppm (obviously the HE). Also, what does the
first number in front of each residue correspond to?
(ex: 282 2 Tyr <shifts> --> ? res_number res_name <shifts>)
Also, the 'Show Peaks' button in the same window isn't doing anything in my
project.
Seeing that this feature doesn't really seem to work yet, I have been
exporting the peak list (show table, select all, right click -> export,
select columns 'shift' and 'resonance', save) for each spectrum in my
titration separately.
Just to make - is there an easier way to do that?
What I would like to end up with of course is a table of all shifts
corresponding to a particular resonance throughout the titration series.
Thanks!
Martin
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